3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C29H29ClF2N6O2 — CID 90684198

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(C(C)(F)c3ccccc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C29H29ClF2N6O2/c1-16-7-9-17(10-8-16)15-38-25-22(35-27(38)29(2,32)20-5-3-4-6-21(20)31)12-23(26-36-28(39)40-37-26)34-24(25)18-11-19(30)14-33-13-18/h3-6,11-14,16-17,26,37H,7-10,15H2,1-2H3,(H,36,39)
InChIKeyRZFBEBUXSBBRGI-UHFFFAOYSA-N
MW567.04 g/mol
LogP6.59
Rot. Bonds6

About 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684198) has the molecular formula C29H29ClF2N6O2 and a molecular weight of 567.04 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684198
Molecular FormulaC29H29ClF2N6O2
Molecular Weight567.04 g/mol
Exact Mass566.20
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(C(C)(F)c3ccccc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C29H29ClF2N6O2/c1-16-7-9-17(10-8-16)15-38-25-22(35-27(38)29(2,32)20-5-3-4-6-21(20)31)12-23(26-36-28(39)40-37-26)34-24(25)18-11-19(30)14-33-13-18/h3-6,11-14,16-17,26,37H,7-10,15H2,1-2H3,(H,36,39)
InChIKeyRZFBEBUXSBBRGI-UHFFFAOYSA-N
XLogP6.59
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.04
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684198) is 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(C(C)(F)c3ccccc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is RZFBEBUXSBBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClF2N6O2/c1-16-7-9-17(10-8-16)15-38-25-22(35-27(38)29(2,32)20-5-3-4-6-21(20)31)12-23(26-36-28(39)40-37-26)34-24(25)18-11-19(30)14-33-13-18/h3-6,11-14,16-17,26,37H,7-10,15H2,1-2H3,(H,36,39).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 567.04 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[1-fluoro-1-(2-fluorophenyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).